4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide

C17H26N2O2 — CID 66265793

IUPAC4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-11(2)13-5-7-14(8-6-13)12(3)19-17(20)15-9-21-10-16(15)18-4/h5-8,11-12,15-16,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyDYCPOLCZUWZIJG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.22
Rot. Bonds5

About 4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide

4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide (PubChem CID 66265793) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
PubChem CID66265793
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-11(2)13-5-7-14(8-6-13)12(3)19-17(20)15-9-21-10-16(15)18-4/h5-8,11-12,15-16,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyDYCPOLCZUWZIJG-UHFFFAOYSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 27450935
cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074
2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid
CID 66267213
N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265788
4-(methylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)oxolane-3-carboxamide
CID 66265401
4-(methylamino)-N-(4-phenylbutan-2-yl)oxolane-3-carboxamide
CID 66265448
N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
CID 79249718
N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66260046
4-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]oxolane-3-carboxamide
CID 66266793
(3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide
CID 132566577
4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 106212783

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide (CID 66265793) is 4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide is CNC1COCC1C(=O)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is DYCPOLCZUWZIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)13-5-7-14(8-6-13)12(3)19-17(20)15-9-21-10-16(15)18-4/h5-8,11-12,15-16,18H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide?
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66265793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).